Phosphoric Acid

Phosphoric Acid

SCHEMBL7515151

O=C(Nc1ccccc1)c1cc(Br)c(Br)c(Br)c1O.O=P(O)(O)O.[Zn].[Zn]

nearest known ligand 0.61

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Phosphoric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR known ✓ P35968 1/20 0.43
HSPD1 P10809 2/20 0.61
HSPE1 P61604 2/20 0.61
BCL2 P10415 2/20 0.48
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
CYP1A2 P05177 1/20 0.48
LCK P06239 1/20 0.48
CYP2C9 P11712 1/20 0.48
PTGS1 P23219 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPK14 Q16539 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30833241 0.96 HSPD1 (0.66) HSPD1HSPE1BCL2KMT2AMEN1
SCHEMBL526907 0.96 HSPD1 (0.66) HSPD1HSPE1BCL2KMT2AMEN1
SCHEMBL229763 0.94 HSPD1 (0.68) HSPD1HSPE1BCL2KMT2AMEN1
SCHEMBL29474808 0.94 HSPD1 (0.68) HSPD1HSPE1BCL2KMT2AMEN1
SCHEMBL5805742 0.93 HSPD1 (0.66) HSPD1HSPE1BCL2KMT2AMEN1
Phosphoric Acid SCHEMBL7515153 0.90 HSPD1 (0.59) HSPD1HSPE1BCL2KMT2AMEN1
SCHEMBL28497138 0.78 HSPD1 (0.58) HSPD1HSPE1BCL2KMT2AMEN1
SCHEMBL22767660 0.78 HSPD1 (0.66) HSPD1HSPE1BCL2KMT2AMEN1
SCHEMBL3441192 0.77 HSPD1 (0.60) HSPD1HSPE1BCL2KMT2AMEN1
Metabromsalan SCHEMBL1162534 0.76 HSPD1 (1.00) HSPD1HSPE1BCL2KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171084-A1 ZINC CONTAINING DENTIFRICE COMPOSITIONS WARNER-LAMBERT COMPANY (US) 2002-01-16 EP disclosed
WO-2000061092-A1 ZINC CONTAINING DENTIFRICE COMPOSITIONS WARNER-LAMBERT COMPANY (US) 2000-10-19 WO disclosed